2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine
2-isobutyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture)

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  09-40000 2(4)-ISOBUTYL-4(2)-6-DIMETHYLDIHYDRO(4H)-1,3,5-DITHIAZINE

Name: 4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane CAS Number: 101517-87-7 3D/inchi FDA UNII: YOR3E7P831 MDL: MFCD10000649 XlogP3-AA: 3.80 (est) Molecular Weight: 205.38743000 Formula: C9 H19 N S2 NMR Predictor: Predict (works with chrome, Edge or firefox) Name: 2,4-dimethyl-6-(2-methylpropyl)-1,3,5-dithiazinane CAS Number: 101517-86-6 3D/inchi FDA UNII: ES2CZM828N Molecular Weight: 205.38743000 Formula: C9 H19 N S2 NMR Predictor: Predict (works with chrome, Edge or firefox) EFSA/JECFA Comments: At least 64 % 2-isobutyl-4,6-dimethyl and 18 % 4-Isobutyl-2,6-dimethyl; sec. components at least 13 % 2,4,6-trimethyl-; 2,4-diisobutyl-6-methyl-; 2,6-dimethyl-4-butyldihydro-1,3,5-dithiazine; substituted 1,3,5-thiadiazine.(EFFA, 2011h). Mixture of diastereoisomers, each of them racemic (EFFA,2013b). At least 64 % 2-isobutyl-4,6-dimethyl and 18 % 4-Isobutyl-2,6-dimethyl; secondary components at least 13%: 2,4,6-trimethyl-; 2,4-diisobutyl-6-methyl-; 2,6-dimethyl-4-butyldihydro-1,3,5-dithiazine; substituted 1,3,5-thiadiazine (EFFA, 2011c). Category:flavoring agents   US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information: Google Scholar: Search Google Books: Search Google Scholar: with word "volatile" Search Google Scholar: with word "flavor" Search Google Scholar: with word "odor" Search Perfumer and Flavorist: Search Google Patents: Search US Patents: Search EU Patents: Search Pubchem Patents: Search JECFA Food Flavoring: 1046 2-isobutyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture) DG SANTE Food Flavourings: 15.079 2-isobutyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture) FEMA Number: 3781 FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 977161-98-0 ; 2(4)-ISOBUTYL-4(2),6-DIMETHYLDIHYDRO-4H-1,3,5-DITHIAZINE   Physical Properties: Appearance: colorless to pale yellow clear liquid (est) Assay: 82.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 0.96100 to 0.96700 @ 25.00 °C. Pounds per Gallon - (est).: 7.996 to 8.046 Refractive Index: 1.48800 to 1.49200 @ 20.00 °C. Boiling Point: 104.00 to 115.00 °C. @ 2.50 mm Hg Boiling Point: 298.00 to 300.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.001000 mmHg @ 25.00 °C. (est) Flash Point: 278.00 °F. TCC ( 136.67 °C. ) logP (o/w): 1.896 (est) Soluble in:   alcohol   water, 1562 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: nutty roasted cocoa peanut nutty Odor Description:at 0.10 % in dipropylene glycol. roasted cocoa peanut Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: Carbosynth For experimental / research use only. 2(4)-isoButyl-4(2),6-dimethyldihydro-4H-1,3,5-dithiazine Parchem 2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine Penta International 2(4)-ISOBUTYL-4(2)-6-DIMETHYLDIHYDRO(4H)-1,3,5-DITHIAZINE Tengzhou Xiang Yuan Aroma Chemicals 2.(4)Isobutyl-4(2).6-Dimethyl-1.3.5-Dithiazine   Safety Information:   Hazards identification   Classification of the substance or mixture GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) None found. GHS Label elements, including precautionary statements   Pictogram   Hazard statement(s) None found. Precautionary statement(s) None found. Oral/Parenteral Toxicity: Not determined Dermal Toxicity: Not determined Inhalation Toxicity: Not determined   Safety in Use Information: Category: flavoring agents Recommendation for 2(4)-isobutyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine usage levels up to:   not for fragrance use.   Maximised Survey-derived Daily Intakes (MSDI-EU): .10 (μg/capita/day) Threshold of Concern: 90 (μg/person/day) Structure Class: III Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library publication number: 16 Click here to view publication 16   average usual ppm average maximum ppm baked goods: 0.50000 5.00000 beverages(nonalcoholic): - - beverages(alcoholic): - - breakfast cereal: 0.50000 5.00000 cheese: - - chewing gum: 1.00000 20.00000 condiments / relishes: - - confectionery froastings: 0.50000 5.00000 egg products: - - fats / oils: - - fish products: - - frozen dairy: - - fruit ices: - - gelatins / puddings: - - granulated sugar: - - gravies: - - hard candy: 0.50000 5.00000 imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: 0.50000 5.00000 milk products: 0.50000 1.00000 nut products: 0.50000 5.00000 other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: 0.50000 5.00000 soft candy: 0.50000 5.00000 soups: 0.10000 2.00000 sugar substitutes: - - sweet sauces: - -   Safety References: European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... European Food Safety Authority (EFSA) reference(s): Flavouring Group Evaluation 21, Revision 1 (FGE.21Rev1): Thiazoles, thiophene, thiazoline and thienyl derivatives from chemical group 29 Miscellaneous substances from chemical group 30 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 21, Revision 3 (FGE.21Rev3): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 21, Revision 4 (FGE.21Rev4): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 21, Revision 5 (FGE.21Rev5): Thiazoles, thiophenes, thiazoline and thienyl derivatives from chemical groups 29 and 30 View page or View pdf Scientific Opinion on Flavouring Group Evaluation 9, Revision 6 (FGE.09Rev6): Secondary alicyclic saturated and unsaturated alcohols, ketones and esters containing secondary alicyclic alcohols from chemical group 8 and 30, and an ester of a phenol derivative from chemical group 25 View page or View pdf EPI System: View EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :529056 National Institute of Allergy and Infectious Diseases:Data 4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane Chemidplus:0101517877 2,4-dimethyl-6-(2-methylpropyl)-1,3,5-dithiazinane Chemidplus:0101517866   References:   4,6-dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 529056 Pubchem (sid): 11076991   2,4-dimethyl-6-(2-methylpropyl)-1,3,5-dithiazinane NIST Chemistry WebBook: Search Inchi Pubchem (cid): 71587382 Pubchem (sid): 163641164   Other Information: (IUPAC): Atomic Weights of the Elements 2011 (pdf) Videos: The Periodic Table of Videos tgsc: Atomic Weights use for this web site (IUPAC): Periodic Table of the Elements FDA Substances Added to Food (formerly EAFUS): View HMDB (The Human Metabolome Database): HMDB40335 FooDB: FDB020060 VCF-Online: VCF Volatile Compounds in Food ChemSpider: View   Potential Blenders and core components note For Odor No odor group found for these sulfuryl octanoate FL/FR sulfuryl butyrate FL/FR sulfuryl decanoate FL/FR sulfuryl hexanoate FL/FR sulfuryl isobutyrate FL/FR sulfuryl propionate FL/FR valeraldehyde dibutyl acetal FL/FR valeraldehyde propylene glycol acetal FL/FR balsamic balsamic 2- acetyl furan FL/FR iso amyl cinnamate FL/FR amyl cinnamate FL/FR butyl cinnamate FL/FR propyl benzoate FL/FR buttery acetyl propionyl FL/FR 3,4- hexane dione FL/FR camphoreous bornyl isobutyrate FL/FR caramellic ethyl 2-hydroxy-2-methyl butyrate FL/FR fenugreek oleoresin FL/FR chocolate iso amyl phenyl acetate FL/FR chocolate pyrazine A FL/FR cocoa hexenal FL/FR cocoa oleoresin FL/FR cocoa pentenal FL/FR 2,6- dimethyl pyrazine FL/FR 2,5- dimethyl pyrazine FL/FR 2- methoxy-3-methyl pyrazine FL/FR 2- methoxypyrazine FL/FR 2,4,5- trimethyl thiazole FL/FR cocoa 2-iso butyl-3,5-(and 3,6)-dimethyl pyrazine FL/FR 2- methyl butyraldehyde FL/FR theobroma cacao extract FL/FR coconut alpha- angelica lactone FL/FR gamma- heptalactone FL/FR coumarinic coumane FL/FR earthy 2- ethyl-3-methoxypyrazine FL/FR nutty pyrazine FL/FR ethereal iso propyl formate FL/FR fatty coconut absolute FL/FR fermented 3- methyl-1-pentanol FL/FR valeraldehyde FL/FR floral para- cresyl laurate FL/FR ethyl phenyl acetate FL/FR fruity iso amyl nonanoate FL/FR butyl 2-methyl butyrate FL/FR cherry oxyacetate FL/FR methyl valerate FL/FR 3- methyl-2-butenal FL/FR green 2- heptyl furan FL/FR phenyl acetaldehyde FL/FR tiglaldehyde FL/FR herbal gamma- valerolactone FL/FR musty 2- acetyl pyrrole FL/FR 3- acetyl-2,5-dimethyl furan FL/FR cocoa butenal FL/FR hazelnut pyrazine FL/FR menthofuran FL/FR naphthyl ortho- methyl anisole FL/FR para- methyl anisole FL/FR nutty 3- acetyl pyridine FL/FR 2- acetyl-3-ethyl pyrazine FL/FR 2- acetyl-3-methyl pyrazine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR 2- acetyl-5-methyl furan FL/FR 3,6- cocoa pyrazine FL/FR 3,5- cocoa pyrazine FL/FR 2,3- dimethyl pyrazine FL/FR 2- ethyl pyrazine FL/FR 2- ethyl-4-methyl thiazole FL/FR filbert heptenone FL/FR filbert pyrazine FL/FR 2,6- lutidine FL/FR 2- methyl pyrazine FL/FR 5- methyl quinoxaline FL/FR 2- methyl thio-3,5 or 6-methyl pyrazine FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR 2- methyl-3-ethoxypyrazine FL/FR 2- methyl-3-propyl pyrazine FL/FR nutty cyclohexenone FL/FR nutty quinoxaline FL/FR shoyu pyrazine FL/FR 2,3,5,6- tetramethyl pyrazine FL/FR 2,3,5- trimethyl pyrazine FL/FR vinyl sulfurol FL/FR popcorn 2- acetyl pyrazine FL/FR 2- acetyl thiazole FL/FR roasted fenugreek resinoid FL/FR trigonella foenum-graecum seed oil CO2 extract FL/FR spicy 3-(2- furyl) acrolein FL/FR sulfurous furfuryl thioacetate FL/FR tonka whiskey lactone FL/FR waxy butyl laurate FL/FR phenethyl octanoate FL/FR woody 2- methoxy-4-vinyl phenol FL/FR sandalwood oil FL/FR For Flavor No flavor group found for these acetyl acetaldehyde dimethyl acetal FL bornyl isobutyrate FL/FR butyl cinnamate FL/FR 2-iso butyl-3,5-(and 3,6)-dimethyl pyrazine FL/FR butyramide FL chocolate pyrazine A FL/FR coumane FL/FR cyclohexyl methyl pyrazine FL 2,5- diethyl thiazole FL 2,5- diethyl-4-methyl thiazole FL 6,7- dihydro-2,3-dimethyl-5H-cyclopentapyrazine FL dimethyl dihydrocyclopentapyrazine FL 2,5- dimethyl thiazole FL 4,5- dimethyl-2-ethyl thiazole FL ethyl 2-hydroxy-2-methyl butyrate FL/FR ethyl dimethyl pyrazine FL 2- ethyl-3-methoxypyrazine FL/FR (Z+E)-5- ethyl-4-methyl-2-(2-butyl) thiazoline FL (Z+E)-5- ethyl-4-methyl-2-(2-methyl propyl) thiazoline FL 3-(2- furyl) acrolein FL/FR (E,E)-2,4- heptadien-1-ol FL 2- hexyl-5 or 6-keto-1,4-dioxane FL 2- methoxypyrazine FL/FR 2- methyl-3-(methyl thio) pyrazine FL/FR 2- methyl-3-ethoxypyrazine FL/FR peanut dithiazine FL 2- propyl pyridine FL para- salicylic acid FL sulfuryl butyrate FL/FR sulfuryl decanoate FL/FR sulfuryl hexanoate FL/FR sulfuryl isobutyrate FL/FR valeraldehyde propylene glycol acetal FL/FR 5- acetyl-2,3-dihydro-1,4-thiazine FL sulfuryl formate FL sulfuryl octanoate FL/FR sulfuryl propionate FL/FR valeraldehyde dibutyl acetal FL/FR alliaceous alliaceous 2- methyl thioacetaldehyde FL balsamic amyl cinnamate FL/FR bitter methyl ethoxypyrazine FL bready 2- propionyl thiazole FL brown fenugreek oleoresin FL/FR burnt 2- methyl quinoxaline FL buttery 3,4- hexane dione FL/FR camphoreous ortho- methyl anisole FL/FR caramellic fenugreek resinoid FL/FR chocolate cocoa oleoresin FL/FR cocoa propanal FL cocoa cocoa distillates FL cocoa hexenal FL/FR theobroma cacao extract FL/FR coffee difurfuryl ether FL 2- ethyl-4-methyl thiazole FL/FR 2-iso propyl pyrazine FL corn chip 2- acetyl thiazole FL/FR 2- acetyl-2-thiazoline FL creamy alpha- angelica lactone FL/FR earthy 2- methyl-3-propyl pyrazine FL/FR fatty coconut absolute FL/FR 2- heptyl furan FL/FR (E,E)-2,4- nonadienal FL fishy 4,5- dimethyl thiazole FL floral iso amyl cinnamate FL/FR iso amyl phenyl acetate FL/FR cocoa pentenal FL/FR fruity butyl 2-methyl butyrate FL/FR cherry oxyacetate FL/FR 2,4- hexadien-1-ol FL methyl valerate FL/FR 3- methyl-2-butenal FL/FR phenethyl octanoate FL/FR propyl benzoate FL/FR iso propyl formate FL/FR tiglaldehyde FL/FR fusel 2- methyl butyraldehyde FL/FR green cocoa butenal FL/FR 2,5- dimethyl thiophene FL 2- ethyl butyraldehyde FL 4- methyl thiazole FL 2- methyl-5-isopropyl pyrazine FL 2- vinyl pyrazine FL honey ethyl phenyl acetate FL/FR phenyl acetaldehyde FL/FR lactonic gamma- heptalactone FL/FR meaty 2,6- dimethyl pyrazine FL/FR musty 2,5- dimethyl pyrazine FL/FR hazelnut pyrazine FL/FR menthofuran FL/FR shoyu pyrazine FL/FR 2,3,5- trimethyl pyrazine FL/FR naphthyl para- methyl anisole FL/FR nutty 2- acetyl furan FL/FR 3- acetyl pyridine FL/FR 2- acetyl pyrrole FL/FR 3- acetyl-2,5-dimethyl furan FL/FR 2- acetyl-3-ethyl pyrazine FL/FR 2- acetyl-3-methyl pyrazine FL/FR 2- acetyl-3,5-dimethyl pyrazine FL/FR 2- acetyl-5-methyl furan FL/FR 3,6- cocoa pyrazine FL/FR 3,5- cocoa pyrazine FL/FR 3,5- diethyl-2-methyl pyrazine FL 2,5- diethyl-3-methyl pyrazine FL 2,3- dimethyl pyrazine FL/FR 2,4- dimethyl-5-vinyl thiazole FL 2- ethyl pyrazine FL/FR 1- ethyl-2-acetyl pyrrole FL filbert heptenone FL/FR filbert pyrazine FL/FR european hazelnut oleoresin FL 2,6- lutidine FL/FR 2- methoxy-3-methyl pyrazine FL/FR 2- methyl pyrazine FL/FR 5- methyl quinoxaline FL/FR 2- methyl thio-3,5 or 6-methyl pyrazine FL/FR nutty cyclohexenone FL/FR nutty pyrazine FL/FR nutty quinoxaline FL/FR nutty thiazole FL peanut oxazole FL 2,3,5,6- tetramethyl pyrazine FL/FR 2,4,5- trimethyl thiazole FL/FR vinyl sulfurol FL/FR popcorn 2- propionyl-2-thiazoline FL roasted 2- acetyl pyrazine FL/FR furfuryl thioacetate FL/FR trigonella foenum-graecum seed oil CO2 extract FL/FR smoky 2- methoxy-4-vinyl phenol FL/FR toasted acetyl propionyl FL/FR tonka gamma- valerolactone FL/FR waxy butyl laurate FL/FR para- cresyl laurate FL/FR whiskey 3- methyl-1-pentanol FL/FR winey iso amyl nonanoate FL/FR 5- ethyl-2-methyl pyridine FL valeraldehyde FL/FR woody sandalwood oil FL/FR whiskey lactone FL/FR   Potential Uses: FL chocolate FL peanut   Occurrence (nature, food, other):note   squid dried squid Search Picture   Synonyms: 2-iso butyl-4,6-dimethyl-1,3,5-dithiazinane 2-iso butyl-4,6-dimethyldihydro-1,3,5-dithiazine and 4-isobutyl-2,6-dimethyldihydro-1,3,5-dithiazine (mixture) 2-iso butyl-4,6-dimethyldihydro-4h-1,3,5-dithiazine 2(4)-iso butyl-4(2)-6-dimethyldihydro(4H)-1,3,5-dithiazine 2(4)-iso butyl-4(2),6-dimethyldihydro-4H-1,3,5-dithiazine   dihydro-2-isobutyl-4,6-dimethyl-4H-1,3,5-dithiazine + dihydro-6-isobutyl-2,4-dimethyl-4H-1,3,5-dithiazine 4,6- dimethyl-2-(2-methylpropyl)-1,3,5-dithiazinane   dimethylisobutyldihydro-1,3,5-dithiazine   Articles:   None found yet.

Notes: Used as a food additive [EAFUS] Isol. from dried squid aroma Isol. from dried squid aroma